(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(piazthiol-4-ylsulfonylamino)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16N4O8S2 MolecularWeight: 480.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H16N4O8S2/c1-10(21-32(26,27)15-4-2-3-14-16(15)20-31-19-14)18(23)29-8-12-6-13(22(24)25)5-11-7-28-9-30-17(11)12/h2-6,10,21H,7-9H2,1H3/t10-/m0/s1